4-(1,3-benzodioxol-5-yl)-1-cyclohexyl-4H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-cyclohexyl-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-cyclohexyl-4H-pyridine-3,5-dicarboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-1-cyclohexyl-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-cyclohexyl-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-cyclohexyl-4H-pyridine-3,5-dicarboxylic acid Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C=C(C(C(=C2)C(=O)O)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2C=C(C(C(=C2)C(=O)O)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C20H21NO6/c22-19(23)14-9-21(13-4-2-1-3-5-13)10-15(20(24)25)18(14)12-6-7-16-17(8-12)27-11-26-16/h6-10,13,18H,1-5,11H2,(H,22,23)(H,24,25)